1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione

C10H16N2O2 — CID 59853475

IUPAC1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCn1c(C)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-5-12-7(4)8(6(2)3)9(13)11-10(12)14/h6H,5H2,1-4H3,(H,11,13,14)
InChIKeyJBZAVKXBCDCROD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.99
Rot. Bonds2

About 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione

1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 59853475) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID59853475
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCn1c(C)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-5-12-7(4)8(6(2)3)9(13)11-10(12)14/h6H,5H2,1-4H3,(H,11,13,14)
InChIKeyJBZAVKXBCDCROD-UHFFFAOYSA-N
XLogP0.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione (CID 59853475) is 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione is CCn1c(C)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is JBZAVKXBCDCROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-12-7(4)8(6(2)3)9(13)11-10(12)14/h6H,5H2,1-4H3,(H,11,13,14).
What are the key properties of 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione?
1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 59853475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).